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Information card for entry 7113212
Preview
| Coordinates | 7113212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Cu4 N12 Na4 O23 |
|---|---|
| Calculated formula | C16 Cu4 N12 Na4 O23 |
| SMILES | C1(=O)c2c3C(=O)O[Cu]45([n]3nn2[Cu]2(O1)([OH2])[n]1c(c3C(=O)O[Cu]6([n]7c(c8C(=O)O[Cu]9(n8n7)([n]7nn4c(C(=O)O5)c7C(=O)O9)[OH2])C(=O)O6)(n3n1)[OH2])C(=O)O2)[OH2].[Na+].[Na+].[Na+].O.O.[Na+].O |
| Title of publication | A novel three-dimensional heterometallic compound: templated assembly of the unprecedented planar "Na⊂[Cu4]" metalloporphyrin-like subunits |
| Authors of publication | Yue, Yan-Feng; Wang, Bing-Wu; Gao, En-Qing; Fang, Chen-Jie; He, Cheng; Yan, Chun-Hua |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2007 |
| Journal issue | 20 |
| Pages of publication | 2034 - 2036 |
| a | 8.7558 ± 0.0001 Å |
| b | 16.6604 ± 0.0003 Å |
| c | 21.5919 ± 0.0004 Å |
| α | 90° |
| β | 99.6544 ± 0.0007° |
| γ | 90° |
| Cell volume | 3105.11 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7101894 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210633 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7101894, 7113212. Marking entry 7113212 as a duplicate of entry 7101894. |
7113212.cif |
| 180246 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/32. |
7113212.cif |
| 113385 | 2014-05-12 | cif/ Adding structures of 7113212 via cif-deposit CGI script. |
7113212.cif |
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